SCHEMBL5882381

SCHEMBL5882381

CCc1ccc(OCCOC)c(C(Nc2ccc(C#N)cc2)C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.39
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MCL1 Q07820 1/20 0.37
HIF1A Q16665 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
F10 P00742 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
F7 P08709 2/20 0.36
F3 P13726 2/20 0.36
PRSS3 P35030 2/20 0.36
F2 P00734 1/20 0.36
EPHX2 P34913 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
CYP2A6 P11509 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5883198 0.91 F10 (0.36) GAAMEN1KMT2AMCL1HIF1A
SCHEMBL5883257 0.88 PTGES (0.37) GAAMEN1KMT2AMCL1HIF1A
SCHEMBL5884236 0.88 CACNA1B (0.39) GAAMEN1KMT2AF10PRSS1
SCHEMBL5883261 0.88 PTGES (0.37) GAAMEN1KMT2AMCL1HIF1A
Acetic Acid SCHEMBL5882450 0.88 F10 (0.37) GAAMEN1KMT2AMCL1HIF1A
SCHEMBL5883360 0.88 PTGDR2 (0.43) GAAMEN1KMT2AHIF1AF10
SCHEMBL5883628 0.87 PTGES (0.41) GAAMEN1KMT2AHIF1AALDH1A1
SCHEMBL5883283 0.87 ALDH1A1 (0.39) GAAF10PRSS1PRSS2F7
SCHEMBL5883631 0.87 PTGES (0.41) GAAMEN1KMT2AHIF1AALDH1A1
SCHEMBL5882725 0.86 F2 (0.50) GAAMEN1KMT2AF10PRSS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071212-B2 N-(4-carbamimidoyl-phenyl)-glycine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
EP-1149069-B1 PHENYLGLYCINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2004-02-19 US disclosed
US-6683215-B2 TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION AND ARTERIOSCLEROSIS, WHICH ARE ASSOCIATED WITH COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA AND TISSUE FACTOR; ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. 2004-01-27 US disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 US disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PDGFRB 2784/4885GAA 1949/4885MEN1 604/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PDGFRB 2784/4885GAA 1949/4885MEN1 604/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PDGFRB 2784/4885GAA 1949/4885MEN1 604/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.